N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine

C20H21FN2 — CID 50864337

IUPACN-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3F)cc21
InChIInChI=1S/C20H21FN2/c1-14-12-20(2,3)23(4)19-10-9-15(11-16(14)19)13-22-18-8-6-5-7-17(18)21/h5-13H,1-4H3/b22-13+
InChIKeyLUBVWQRPFBYXDK-LPYMAVHISA-N
MW308.40 g/mol
LogP5.21
Rot. Bonds2

About N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine

N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine (PubChem CID 50864337) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine
PubChem CID50864337
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC NameN-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3F)cc21
InChIInChI=1S/C20H21FN2/c1-14-12-20(2,3)23(4)19-10-9-15(11-16(14)19)13-22-18-8-6-5-7-17(18)21/h5-13H,1-4H3/b22-13+
InChIKeyLUBVWQRPFBYXDK-LPYMAVHISA-N
XLogP5.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine
CID 50864201
N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50868485
N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869663
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865423
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865430
N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170764
[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea
CID 50864127
N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50868469
3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50864186
N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866316
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-fluorobenzamide
CID 50866202

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The IUPAC name of N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine (CID 50864337) is N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine is CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3F)cc21.
What is the InChIKey of N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The InChIKey is LUBVWQRPFBYXDK-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21FN2/c1-14-12-20(2,3)23(4)19-10-9-15(11-16(14)19)13-22-18-8-6-5-7-17(18)21/h5-13H,1-4H3/b22-13+.
What are the key properties of N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine?
N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine has a molecular weight of 308.40 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50864337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).